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2,4-dimethoxybenzoic acid

2,4-dimethoxybenzoic acid

CAS: 91-52-1

Formula: C9H10O4

SMILES: COC1=CC(OC)=C(C=C1)C(O)=O

IUPAC: 2,4-dimethoxybenzoic acid

InChI: InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)

Composition: C (59.34%), H (5.53%), O (35.13%)

Molar Mass: 182.175

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.057908802
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GPVDHNVGGIAOQT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.24
Topological Polar Surface Area 55.76
Polarizability 17.74
Ring Count 1
Rotatable Bond Count 3

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